Molecule

ID:11491

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₃
Molecular Mass
326.38958
Exact Mass
326.16304257
Charge
0
InChI
InChI=1S/C19H22N2O3/c1-23-17-9-13(10-18(24-2)19(17)22)11-20-8-7-14-12-21-16-6-4-3-5-15(14)16/h3-6,9-10,12,20-22H,7-8,11H2,1-2H3
InChIKey
JXAXKCRNYQFDAI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CNCCc2c[nH]c3c2cccc3)cc(c1O)OC
Isomeric Smiles
[nH]1cc(c2c1cccc2)CCNCc1cc(c(c(c1)OC)O)OC
Calculated Properties
JChem
Acid pKa
8.96524
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.153732
LogD (pH = 7.4)
0.90384585
Log P
2.1446912
Molar Refractivity
94.6674
Polarizability
37.75426
Polar Surface Area
66.51
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation